[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-11(22)21-18-17(14-7-2-3-8-16(14)26-18)19(24)25-10-15(23)12-5-4-6-13(20)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,21,22)